2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | V003-1176 |
| Compound Name: | 2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C20 H21 N5 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccncc2)nnc1SCC(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0017 |
| logD: | 2.0016 |
| logSw: | -1.8641 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.141 |
| InChI Key: | AFVBYKISDHCALI-UHFFFAOYSA-N |